chempirical

Proscillaridin

C30H42O8CAS 466-06-8530.66 g/mol

Open in Covalent MOL file
OOOOHOHOHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C30H42O8
Molar mass
530.66 g/mol
Exact mass
530.2880 Da
Melting point
221 °C
logP
3.01Crippen estimate
Polar surface area
129.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
S, R, S, R, S, R, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
466-06-8
SMILES
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O
InChIKey
MYEJFUXQJGHEQK-ALRJYLEOSA-N
InChI
InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

37 names · show all
  • Bufa-4,20,22-trienolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-, (3β)-
  • Proscillaridin A
  • (3β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide
  • Talusin
  • Transvaalin, degluco-
  • 3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide
  • 14-Hydroxy-3β-(rhamnosyloxy)bufa-4,20,22-trienolide
  • 3β-Rhamnosido-14β-hydroxy-δ4,20,22-bufatrienolide
  • Desglucotransvaaline
  • Scillarenin 3β-rhamnoside
  • Caradrin
  • Cardion
  • Carmazon
  • Herzo proscillan
  • Prostosin
  • Protasin
  • Purosin-TC
  • Sandoscill
  • Scillacrist
  • Solestril
  • Simeon
  • Stellarid
  • Urgilan
  • Cardiovite
  • PSC-801
  • Coratol
  • Procilan
  • Procardin
  • Tradenal
  • Proscillan
  • Wirnesin
  • Proszine
  • Talucard
  • A 32686
  • Desglucotrnasvaaline
  • NSC 7521
  • Proslladin

Work with Proscillaridin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Telocinobufagin472-26-451 % similar Bufalin465-21-447 % similar Gamabufotalin465-11-240 % similar Arenobufagin464-74-436 % similar Bufotalin471-95-436 % similar Resibufogenin465-39-434 % similar Polyphyllin vi55916-51-332 % similar Paris vii68124-04-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook